New. J. Chem., 23, 951-954 (1999)

DOI: 10.1039/A904537F 

Can aromaticity be described with a single parameter? Benzene vs cyclohexatriene

The problem of magnetic vs. geometric criteria of aromaticity is approached using NICS/GIAO/B3LYP/6-31G* calculations on benzene and distorted benzenes, the conclusion being that a relationship exists between these criteria but only for specific subsets.